2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine

C9H9ClN4 — CID 43260433

IUPAC2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine
SMILESCc1cc(C)n(-c2cncc(Cl)n2)n1
InChIInChI=1S/C9H9ClN4/c1-6-3-7(2)14(13-6)9-5-11-4-8(10)12-9/h3-5H,1-2H3
InChIKeyAKLLGGYKLKOWRX-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.93
Rot. Bonds1

About 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine

2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine (PubChem CID 43260433) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine
PubChem CID43260433
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine
SMILESCc1cc(C)n(-c2cncc(Cl)n2)n1
InChIInChI=1S/C9H9ClN4/c1-6-3-7(2)14(13-6)9-5-11-4-8(10)12-9/h3-5H,1-2H3
InChIKeyAKLLGGYKLKOWRX-UHFFFAOYSA-N
XLogP1.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine?
The IUPAC name of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine (CID 43260433) is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine is Cc1cc(C)n(-c2cncc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine?
The InChIKey is AKLLGGYKLKOWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-6-3-7(2)14(13-6)9-5-11-4-8(10)12-9/h3-5H,1-2H3.
What are the key properties of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine?
2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine has a molecular weight of 208.65 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrazine is sourced from PubChem (CID 43260433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).